(4-ethanoylphenyl)methyl 4-[(3-nitrophenyl)amino]-4-oxidanylidene-butanoate

Systemtic Name: (4-ethanoylphenyl)methyl 4-[(3-nitrophenyl)amino]-4-oxidanylidene-butanoate Openeye Name: (4-acetylphenyl)methyl 4-(3-nitroanilino)-4-oxo-butanoate CAS Name: 4-(3-nitroanilino)-4-oxobutanoic acid (4-acetylphenyl)methyl ester IUPAC Name: (4-acetylphenyl)methyl 4-(3-nitroanilino)-4-oxobutanoate Traditional Name: 4-keto-4-(3-nitroanilino)butyric acid (4-acetylbenzyl) ester Formula: C19H18N2O6 MolecularWeight: 370.35602

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)COC(=O)CCC(=O)NC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)COC(=O)CCC(=O)NC2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C19H18N2O6/c1-13(22)15-7-5-14(6-8-15)12-27-19(24)10-9-18(23)20-16-3-2-4-17(11-16)21(25)26/h2-8,11H,9-10,12H2,1H3,(H,20,23)